Glycoside
GD124575
Name:
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-3,6-dimethyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-oneFormula:
C29H36O15Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5(C)O)C(O)C(O)C4O)cc3O2)cc1OAglycone:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(C)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.55 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 624.59 | Num_heavy_atoms: | 44 |
| TPSA: | 234.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD03897
Formula: C16H14O6
Smiles:
COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 302.28 | Num_heavy_atoms: | 22 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
